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BDBM50430009 CHEMBL2335049

SMILES: CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S

InChI Key: InChIKey=ZQTPCGHWXXJLER-UHFFFAOYSA-M

Data: 6 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50430009   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysophosphatidic acid receptor 6


(Homo sapiens (Human))
BDBM50430009
PNG
(CHEMBL2335049)
Show SMILES CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C20H43O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(18-23-2)19-25-26(21,22)27/h20H,3-19H2,1-2H3,(H2,21,22,27)/p-1
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n/an/an/an/a 66n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA6 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 5 (LPA5)


(Homo sapiens (Human))
BDBM50430009
PNG
(CHEMBL2335049)
Show SMILES CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C20H43O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(18-23-2)19-25-26(21,22)27/h20H,3-19H2,1-2H3,(H2,21,22,27)/p-1
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n/an/an/an/a 0.260n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA5 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50430009
PNG
(CHEMBL2335049)
Show SMILES CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C20H43O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(18-23-2)19-25-26(21,22)27/h20H,3-19H2,1-2H3,(H2,21,22,27)/p-1
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n/an/an/an/a 26n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA1 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 3 (LPAR3)


(Homo sapiens (Human))
BDBM50430009
PNG
(CHEMBL2335049)
Show SMILES CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C20H43O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(18-23-2)19-25-26(21,22)27/h20H,3-19H2,1-2H3,(H2,21,22,27)/p-1
UniProtKB/SwissProt

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n/an/an/an/a 0.360n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA3 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor Edg-4


(Homo sapiens (Human))
BDBM50430009
PNG
(CHEMBL2335049)
Show SMILES CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C20H43O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(18-23-2)19-25-26(21,22)27/h20H,3-19H2,1-2H3,(H2,21,22,27)/p-1
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n/an/an/an/a 116n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA2 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 4


(Homo sapiens (Human))
BDBM50430009
PNG
(CHEMBL2335049)
Show SMILES CCCCCCCCCCCCCCCCOC(COC)COP(O)([O-])=S
Show InChI InChI=1S/C20H43O5PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-20(18-23-2)19-25-26(21,22)27/h20H,3-19H2,1-2H3,(H2,21,22,27)/p-1
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Article
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n/an/an/an/a 3.80n/an/an/an/a



The University of Utah

Curated by ChEMBL


Assay Description
Agonist activity at human LPA4 receptor transfected in HEK293 cells after 1 hr by TGFalpha shedding assay in presence of Ki16425


Bioorg Med Chem Lett 23: 1865-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.002
BindingDB Entry DOI: 10.7270/Q2SN0B9G
More data for this
Ligand-Target Pair